methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate

C12H11NO3 — CID 74017935

IUPACmethyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
SMILESCOC(=O)C1=CC2=NC(=O)C(C)=CC2C=C1
InChIInChI=1S/C12H11NO3/c1-7-5-8-3-4-9(12(15)16-2)6-10(8)13-11(7)14/h3-6,8H,1-2H3
InChIKeyIFQCMLAOWJKEGH-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.20
Rot. Bonds1

About methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate

methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate (PubChem CID 74017935) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
PubChem CID74017935
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
SMILESCOC(=O)C1=CC2=NC(=O)C(C)=CC2C=C1
InChIInChI=1S/C12H11NO3/c1-7-5-8-3-4-9(12(15)16-2)6-10(8)13-11(7)14/h3-6,8H,1-2H3
InChIKeyIFQCMLAOWJKEGH-UHFFFAOYSA-N
XLogP1.20
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate?
The IUPAC name of methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate (CID 74017935) is methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate?
The canonical SMILES for methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate is COC(=O)C1=CC2=NC(=O)C(C)=CC2C=C1.
What is the InChIKey of methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate?
The InChIKey is IFQCMLAOWJKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-5-8-3-4-9(12(15)16-2)6-10(8)13-11(7)14/h3-6,8H,1-2H3.
What are the key properties of methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate?
methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate is sourced from PubChem (CID 74017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).